1-cyclopropyl-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-1,3-benzodioxol-5-yl)propane-1,3-dione Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C(=O)CC(=O)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C(=O)CC(=O)C3CC3

InChI

InChI=1S/C14H14O6S/c1-21(17,18)14-9(4-5-12-13(14)20-7-19-12)11(16)6-10(15)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3